N-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide

C19H15ClN4O4S — CID 86293598

IUPACN-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide
SMILESO=C1COc2c(cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)C5CC5)c4)cc23)N1
InChIInChI=1S/C19H15ClN4O4S/c20-19-15(24-29(26,27)12-2-3-12)6-11(7-22-19)10-1-4-14-13(5-10)18-16(8-21-14)23-17(25)9-28-18/h1,4-8,12,24H,2-3,9H2,(H,23,25)
InChIKeyOGPHEHSPJZIZOM-UHFFFAOYSA-N
MW430.87 g/mol
LogP3.19
Rot. Bonds4

About N-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide

N-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 86293598) has the molecular formula C19H15ClN4O4S and a molecular weight of 430.87 g/mol. Its IUPAC name is N-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide
PubChem CID86293598
Molecular FormulaC19H15ClN4O4S
Molecular Weight430.87 g/mol
Exact Mass430.05
IUPAC NameN-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide
SMILESO=C1COc2c(cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)C5CC5)c4)cc23)N1
InChIInChI=1S/C19H15ClN4O4S/c20-19-15(24-29(26,27)12-2-3-12)6-11(7-22-19)10-1-4-14-13(5-10)18-16(8-21-14)23-17(25)9-28-18/h1,4-8,12,24H,2-3,9H2,(H,23,25)
InChIKeyOGPHEHSPJZIZOM-UHFFFAOYSA-N
XLogP3.19
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.87
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide (CID 86293598) is N-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide is O=C1COc2c(cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)C5CC5)c4)cc23)N1.
What is the InChIKey of N-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is OGPHEHSPJZIZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O4S/c20-19-15(24-29(26,27)12-2-3-12)6-11(7-22-19)10-1-4-14-13(5-10)18-16(8-21-14)23-17(25)9-28-18/h1,4-8,12,24H,2-3,9H2,(H,23,25).
What are the key properties of N-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide?
N-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 430.87 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 86293598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).